SCHEMBL6884066

SCHEMBL6884066

COc1c(OCCn2c([N+](=O)[O-])cnc2C)cnc(CNc2nc(C)nc(C)c2Cl)c1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.43
LMNA P02545 3/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 2/20 0.40
KDR P35968 1/20 0.40
ERBB2 P04626 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
GUSB P08236 1/20 0.38
PTK2 Q05397 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TYMS P04818 1/20 0.38
GAA P10253 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6885782 0.81 LMNA (0.45) EGFRLMNACA12CA1CA2
SCHEMBL6885666 0.81 LMNA (0.31) LMNAMAPK1GAA
SCHEMBL6868584 0.81 TYMS (0.39) EGFRLMNACA12CA1CA2
SCHEMBL6866412 0.80 TYMS (0.38) EGFRLMNACA12CA1CA2
SCHEMBL6871110 0.80 TYMS (0.38) EGFRLMNACA12CA1CA2
SCHEMBL6869711 0.79 TYMS (0.37) EGFRLMNACA12CA1CA2
SCHEMBL6887016 0.78 LMNA (0.45) EGFRLMNACA12CA1CA2
SCHEMBL6869123 0.77 LMNA (0.40) EGFRLMNACA12CA1CA2
SCHEMBL6871145 0.74 TYMS (0.40) EGFRLMNACA12CA1CA2
SCHEMBL6862014 0.74 TYMS (0.40) EGFRLMNACA12CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040158066-A1 Novel pyridylmethylaminopyrimidines ALTANA PHARMA AG (DE) 2004-08-12 US disclosed
EP-1395592-A1 NOVEL PYRIDYLMETHYLAMINOPYRIMIDINES ALTANA Pharma AG (DE) 2004-03-10 EP disclosed
WO-2002094831-A1 NOVEL PYRIDYLMETHYLAMINOPYRIMIDINES ALTANA PHARMA AG (DE) 2002-11-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040158066-A1 Novel pyridylmethylaminopyrimidines PGLS, PLPBP, PDXK EGFR 1662/4885LMNA 4589/4885CA12 4740/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.